CID 544962

26830-40-0

Structural Information

Molecular Formula

C₁₁H₁₅N₃S

SMILES

CC(C)N1CCC2=C(C1)SC(=C2C#N)N

InChI

InChI=1S/C11H15N3S/c1-7(2)14-4-3-8-9(5-12)11(13)15-10(8)6-14/h7H,3-4,6,13H2,1-2H3

InChIKey

GRVDEWDYQKUPSB-UHFFFAOYSA-N

Compound name

2-amino-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 4
Patents: 221.09866 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.10594	146.6
[M+Na]+	244.08788	156.0
[M+NH4]+	239.13248	152.0
[M+K]+	260.06182	147.3
[M-H]-	220.09138	141.4
[M+Na-2H]-	242.07333	147.5
[M]+	221.09811	145.9
[M]-	221.09921	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe